(2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride

C10H11ClN2S — CID 2932203

IUPAC(2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C10H10N2S.ClH/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
InChIKeyZDQWBKSBVOECEI-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.69
Rot. Bonds2

About (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride

(2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride (PubChem CID 2932203) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride
PubChem CID2932203
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C10H10N2S.ClH/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H
InChIKeyZDQWBKSBVOECEI-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride (CID 2932203) is (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride is Cl.NCc1cnc(-c2ccccc2)s1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride?
The InChIKey is ZDQWBKSBVOECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S.ClH/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8;/h1-5,7H,6,11H2;1H.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride?
(2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride has a molecular weight of 226.73 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 2932203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).